3-amino-N-(2-methoxycyclopentyl)-2-methyl-3-sulfanylidenepropanamide

C10H18N2O2S — CID 62086819

IUPAC3-amino-N-(2-methoxycyclopentyl)-2-methyl-3-sulfanylidenepropanamide
SMILESCOC1CCCC1NC(=O)C(C)C(N)=S
InChIInChI=1S/C10H18N2O2S/c1-6(9(11)15)10(13)12-7-4-3-5-8(7)14-2/h6-8H,3-5H2,1-2H3,(H2,11,15)(H,12,13)
InChIKeyOWVLXKKSCRMSOU-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.59
Rot. Bonds4

About 3-amino-N-(2-methoxycyclopentyl)-2-methyl-3-sulfanylidenepropanamide

3-amino-N-(2-methoxycyclopentyl)-2-methyl-3-sulfanylidenepropanamide (PubChem CID 62086819) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 3-amino-N-(2-methoxycyclopentyl)-2-methyl-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxycyclopentyl)-2-methyl-3-sulfanylidenepropanamide
PubChem CID62086819
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name3-amino-N-(2-methoxycyclopentyl)-2-methyl-3-sulfanylidenepropanamide
SMILESCOC1CCCC1NC(=O)C(C)C(N)=S
InChIInChI=1S/C10H18N2O2S/c1-6(9(11)15)10(13)12-7-4-3-5-8(7)14-2/h6-8H,3-5H2,1-2H3,(H2,11,15)(H,12,13)
InChIKeyOWVLXKKSCRMSOU-UHFFFAOYSA-N
XLogP0.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(1R,2R)-2-methoxycyclopentyl]-2-methylpropanamide
CID 130650913
2-hydroxy-N-[(1R,2R)-2-methoxycyclopentyl]propanamide
CID 130831737
2,2-difluoro-N-(2-methoxycyclopentyl)acetamide
CID 103515439
2-amino-N-(2-methoxycyclopentyl)-3,3-dimethylbutanamide
CID 76934435
2-amino-3-methoxy-N-(2-methoxycyclohexyl)propanamide;hydrochloride
CID 120990985
2-cyano-N-(2-methoxycyclopentyl)pentanamide
CID 55210163
N-(2-methoxycyclopentyl)-2-propan-2-yloxyacetamide
CID 112699101
5-amino-N-(2-methoxycyclopentyl)-4-methylpentanamide
CID 82010981
2-(3-aminophenyl)-N-(2-methoxycyclopentyl)propanamide
CID 106591347
2-[(2-methoxycyclopentyl)amino]-N-propan-2-ylpropanamide
CID 62088226
1-amino-N-(2-methoxycyclopentyl)cyclopropane-1-carboxamide
CID 65466235
1-cyclopentyl-3-(2-methoxycyclopentyl)thiourea
CID 116508228

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxycyclopentyl)-2-methyl-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-(2-methoxycyclopentyl)-2-methyl-3-sulfanylidenepropanamide (CID 62086819) is 3-amino-N-(2-methoxycyclopentyl)-2-methyl-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-(2-methoxycyclopentyl)-2-methyl-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-(2-methoxycyclopentyl)-2-methyl-3-sulfanylidenepropanamide is COC1CCCC1NC(=O)C(C)C(N)=S.
What is the InChIKey of 3-amino-N-(2-methoxycyclopentyl)-2-methyl-3-sulfanylidenepropanamide?
The InChIKey is OWVLXKKSCRMSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-6(9(11)15)10(13)12-7-4-3-5-8(7)14-2/h6-8H,3-5H2,1-2H3,(H2,11,15)(H,12,13).
What are the key properties of 3-amino-N-(2-methoxycyclopentyl)-2-methyl-3-sulfanylidenepropanamide?
3-amino-N-(2-methoxycyclopentyl)-2-methyl-3-sulfanylidenepropanamide has a molecular weight of 230.33 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxycyclopentyl)-2-methyl-3-sulfanylidenepropanamide is sourced from PubChem (CID 62086819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).